N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine

C14H21F3N2O — CID 107520238

IUPACN'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCCN(CCOC)CC(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-3-19(8-9-20-2)10-13(18)11-6-4-5-7-12(11)14(15,16)17/h4-7,13H,3,8-10,18H2,1-2H3
InChIKeyHOTHAPSHQJFOFF-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.67
Rot. Bonds7

About N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine

N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 107520238) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID107520238
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC NameN'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCCN(CCOC)CC(N)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-3-19(8-9-20-2)10-13(18)11-6-4-5-7-12(11)14(15,16)17/h4-7,13H,3,8-10,18H2,1-2H3
InChIKeyHOTHAPSHQJFOFF-UHFFFAOYSA-N
XLogP2.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 61448002
N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 18070854
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61448308
3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 62802306
N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55011368
(2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 103934538
ethyl (3R)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoate
CID 29059632
N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62800996
N'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107521259
N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507
1-(2-aminophenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 62264582
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55138914

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 107520238) is N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is CCN(CCOC)CC(N)c1ccccc1C(F)(F)F.
What is the InChIKey of N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is HOTHAPSHQJFOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-3-19(8-9-20-2)10-13(18)11-6-4-5-7-12(11)14(15,16)17/h4-7,13H,3,8-10,18H2,1-2H3.
What are the key properties of N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 290.33 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 107520238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).